REMARK  Name = BDB029357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.258   1.686  -0.135  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.199   1.082  -0.111  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -2.936   1.660  -0.063  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -2.791   2.658  -0.045  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.942   0.694  -0.046  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.518  -0.572  -0.085  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.728  -1.703  -0.079  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.339  -1.530  -0.035  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.256  -0.242   0.005  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -0.578   0.891  -0.001  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -4.011  -0.440  -0.128  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.721  -0.095   0.051  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.342   0.647   1.069  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.732   0.787   1.113  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.524   0.186   0.138  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.928  -0.554  -0.880  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.539  -0.693  -0.922  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
TORSDOF 1